Sugi Predict

Sugi Predict / Compounds / SCHEMBL589254

SCHEMBL589254

SCHEMBL589254

Cc1ccc([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.60
▸ TSHR P16473 3/20 0.60
▸ TDP1 Q9NUW8 3/20 0.60
▸ CYP3A4 P08684 3/20 0.55
▸ PDE7A Q13946 2/20 0.50
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAPT P10636 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ PDE2A O00408 1/20 0.46
▸ PDE5A O76074 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ APEX1 P27695 1/20 0.46
▸ PDE4A P27815 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29618188 1.00 ALDH1A1 (0.60) ALDH1A1TSHRTDP1CYP3A4PDE7A
SCHEMBL23495290 0.87 ALDH1A1 (0.58) ALDH1A1TSHRTDP1CYP3A4PDE7A
SCHEMBL696354 0.85 ALDH1A1 (0.60) ALDH1A1TSHRTDP1CYP3A4PDE7A
SCHEMBL30362286 0.85 ALDH1A1 (0.60) ALDH1A1TSHRTDP1CYP3A4PDE7A
SCHEMBL2608415 0.83 ALDH1A1 (0.62) ALDH1A1TSHRTDP1CYP3A4PDE7A
SCHEMBL1999857 0.82 PDE7A (0.54) ALDH1A1TSHRTDP1PDE7ACYP1A2
SCHEMBL3207733 0.81 AR (0.53) ALDH1A1TDP1CYP3A4PDE7APOLB
SCHEMBL21398693 0.80 MEN1 (0.53) ALDH1A1TSHRTDP1CYP3A4PDE7A
SCHEMBL22165266 0.80 ALDH1A1 (0.53) ALDH1A1TSHRTDP1CYP3A4PDE7A
SCHEMBL13487162 0.80 ALDH1A1 (0.49) ALDH1A1TSHRTDP1PDE7ACYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 298 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3133069-B1 BCR-ABL DIPLOID INHIBITOR, PREPARATION METHOD THEREFOR, AND USES THEREOF SHENZHEN YONGZE PHARMACEUTICAL CO LTD (CN) 2019-09-18 — — EP claimed
CN-106749278-B The preparation and its application of triazole compound 天津国际生物医药联合研究院 2019-03-26 — — CN claimed
US-9969753-B2 BCR-ABL diploid inhibitor, synthesizing method therefor, and uses thereof SHENZHEN YONGZE PHARMACEUTICAL CO., LTD. (CN) 2018-05-15 — — US claimed
CN-106749278-A The preparation and its application of triazole compound 天津国际生物医药联合研究院 2017-05-31 — — CN claimed
EP-3133069-A1 BCR-ABL DIPLOID INHIBITOR, PREPARATION METHOD THEREFOR, AND USES THEREOF Chengdu University (CN) 2017-02-22 — — EP claimed
US-20170037061-A1 BCR-ABL Diploid Inhibitor, Synthesizing Method Therefor, and Uses Thereof SHENZHEN YONGZE PHARMACEUTICAL CO., LTD. (CN) 2017-02-09 — — US claimed
CN-106316864-A Preparation method of 4-methyl-3-trifluoromethyl phenylamine 苏州天马精细化学品股份有限公司 2017-01-11 — — CN claimed
CN-103044432-B Bicyclic heteroaryl compounds 阿里亚德医药股份有限公司 2016-08-03 — — CN claimed
CN-105037398-A Bcr-Abl amphiploid inhibitor, preparation method and application thereof UNIV CHENGDU 2015-11-11 — — CN claimed
US-20130231337-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-09-05 — — US claimed
US-20130178622-A1 Methods and Compositions for Treating Cancer ARIAD PHARMACEUTICALS, INC. (US) 2013-07-11 — — US claimed
JP-7017921-A — — None — — JP disclosed
CN-120842220-B Aryl amide compound and application thereof 暨南大学 2026-05-19 — — CN disclosed
CN-121824536-A Synthesis method of ox Lei Bati Ni 安徽大学 2026-04-10 — — CN disclosed
US-20250361232-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICALS USA INC (US) 2025-11-27 — — US disclosed
CN-1147485-C Indoline derivatives useful as 5-HT-2C receptor antagonists ʷ��˿�������ȳ�ķ���޹�˾ 2004-04-28 — — CN disclosed
CN-1222152-A Indoline derivatives useful as 5-HT-2C receptor antagonists SMITHKLINE BEECHAM PLC (GB) 1999-07-07 — — CN disclosed
JP-H0717921-A 2-METHYL-5-AMINOBENZOTRIFLUORIDE AND PRODUCTION THEREOF CENTRAL GLASS CO LTD 1995-01-20 — — JP disclosed
US-5053504-A PROCESS FOR BENZAZEPINE INTERMEDIATES E. R. SQUIBB & SONS, INC. (US) 1991-10-01 — — US disclosed
EP-0430031-A2 Process for benzazepine intermediates E.R. SQUIBB & SONS, INC. (US) 1991-06-05 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170037061-A1 BCR-ABL Diploid Inhibitor, Synthesizing Method Therefor, and Uses Thereof BCR, ABL1, BOD1L1 ALDH1A1 724/4885TSHR 3388/4885TDP1 1657/4885
US-20130178622-A1 Methods and Compositions for Treating Cancer H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, MKI67 ALDH1A1 416/4885TSHR 4584/4885TDP1 2777/4885
US-20130231337-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ALDH1A1 636/4885TSHR 3513/4885TDP1 3904/4885
US-20250361232-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS MAP4K2, MAP3K19, MAP3K1 ALDH1A1 980/4885TSHR 2313/4885TDP1 1725/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.